Proton transport in triflic acid hydrates studied via path integral car-parrinello molecular dynamics

Keyphrases

• Triflic Acid 100%
• Car-Parrinello Molecular Dynamics 100%
• Zundel 66%
• Ab Initio Molecular Dynamics Simulation 33%
• Perfluorosulfonic Acid Membrane 33%
• Bonding Criterion 33%
• Trifluoromethanesulfonic Acid 33%
• Water Restriction 33%
• Low Conductivity 33%
• Perfluorosulfonic Acid 33%
• Excess Protons 33%
• IR Spectra 33%
• Acid Density 33%
• Bonding Environment 33%
• Cation Defects 33%
• New Defects 33%
• Two-dimensional Potential 33%
• Water Bridging 33%

Chemistry

• Triflic Acid 100%
• Crystal Defect 66%
• Fuel Cell 33%
• IR Spectrum 33%